0 B15R1.890 C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O D129407 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.685 C1=CC(=C(C=C1C(CC(=O)O)N)Cl)Cl A478614 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.685 CN(C)CC(C1=CC(=C(C=C1)O)O)O R339890 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl D184989 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl L184990 [1,0,0,0,0,0|2,0,0]=3 5 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O C189195 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F S588672 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F113768 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F156612 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111048 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111049 [1,0,0,0,0,0|0,0,0]=1 11 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D113507 [1,0,0,0,0,0|0,0,0]=1 12 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D154657 [1,0,0,0,0,0|0,0,0]=1 13 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D342155 [1,0,0,0,0,0|1,0,0]=2 14 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D425886 [1,0,0,0,0,0|1,0,0]=2 15 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110197 [1,0,0,0,0,0|1,0,1]=3 16 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110198 [1,0,0,0,0,0|1,0,1]=3 17 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S425413 [1,0,0,0,0,0|1,0,1]=3 18 B14R1.686 C1=CN(C=C(C1=O)O)CC(C(=O)O)N S170617 [1,0,0,0,0,0|1,0,1]=3 19 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br A193198 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br S588525 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl A151555 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F A138673 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O D304114 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N A151280 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [2,0,0,0,0,0|1,0,1]=4 26 B13R1.133 C1=CC(=CC=C1CC(C(=O)N)N)O L137615 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br B117017 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br P101626 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C100471 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C131971 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C136727 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153283 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153284 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117075 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117076 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F156775 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137496 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137619 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I109232 [2,0,0,0,0,0|1,0,0]=3 40 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I136438 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A105992 [2,0,0,0,0,0|1,0,0]=3 42 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A151041 [2,0,0,0,0,0|1,0,0]=3 43 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A185605 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O G419969 [2,0,0,0,0,0|0,0,0]=2 45 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S433057 [2,0,0,0,0,0|0,0,0]=2 46 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T101403 [2,0,0,0,0,0|0,0,0]=2 47 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T103976 [2,0,0,0,0,0|0,0,0]=2 48 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T108322 [2,0,0,0,0,0|0,0,0]=2 49 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T115962 [2,0,0,0,0,0|0,0,0]=2 50 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)O)O S160986 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L194654 [2,0,0,0,0,0|0,0,2]=4 52 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L302659 [2,0,0,0,0,0|0,0,2]=4 53 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)Br)Br D154624 [2,0,0,0,0,0|2,0,0]=4 55 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O D357309 [2,0,0,0,0,0|0,0,0]=2 56 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O L346317 [2,0,0,0,0,0|0,0,0]=2 57 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O S168484 [2,0,0,0,0,0|0,0,0]=2 58 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N R302391 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.147 C1=CC(=CC(=C1)Br)C(CC(=O)O)N A138068 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.147 C1=CC(=CC(=C1)Br)C(CC(=O)O)N S183376 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.147 C1=CC(=CC(=C1)Cl)C(CC(=O)O)N A185995 [2,0,0,0,0,0|2,0,0]=4 62 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N A179831 [2,0,0,0,0,0|2,0,0]=4 63 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117066 [2,0,0,0,0,0|1,0,0]=3 64 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117067 [2,0,0,0,0,0|1,0,0]=3 65 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F132062 [2,0,0,0,0,0|1,0,0]=3 66 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F179385 [2,0,0,0,0,0|1,0,0]=3 67 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N M138867 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N L136412 [2,0,0,0,0,0|0,0,0]=2 69 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N T117104 [2,0,0,0,0,0|0,0,0]=2 70 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M101592 [2,0,0,0,0,0|1,0,0]=3 71 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M132355 [2,0,0,0,0,0|1,0,0]=3 72 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O D274858 [2,0,0,0,0,0|2,0,0]=4 73 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E113174 [2,0,0,0,0,0|2,0,0]=4 74 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O E129809 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108394 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108395 [2,0,0,0,0,0|2,0,0]=4 77 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108396 [2,0,0,0,0,0|2,0,0]=4 78 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108397 [2,0,0,0,0,0|2,0,0]=4 79 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G108398 [2,0,0,0,0,0|2,0,0]=4 80 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O G274269 [2,0,0,0,0,0|2,0,0]=4 81 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L137183 [2,0,0,0,0,0|2,0,0]=4 82 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L303968 [2,0,0,0,0,0|2,0,0]=4 83 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O L424712 [2,0,0,0,0,0|2,0,0]=4 84 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O E408820 [2,0,0,0,0,0|2,0,0]=4 85 B13R1.466 CNCC(O)C1=CC(=C(O)C=C1)O L408183 [2,0,0,0,0,0|2,0,0]=4 86 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108306 [2,0,0,0,0,0|0,0,2]=4 87 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108307 [2,0,0,0,0,0|0,0,2]=4 88 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108308 [2,0,0,0,0,0|0,0,2]=4 89 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C423391 [2,0,0,0,0,0|0,0,2]=4 90 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)Cl)Cl D183153 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)F)F D167695 [2,0,0,0,0,0|2,0,0]=4 92 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D165817 [2,0,0,0,0,0|0,0,0]=2 93 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D420537 [2,0,0,0,0,0|0,0,0]=2 94 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C D132862 [2,0,0,0,0,0|2,0,0]=4 95 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O S161146 [2,0,0,0,0,0|1,0,1]=4 96 B15R1.4038 COC1=C(C=CC(=C1)CC(C(=O)O)N)O R332752 [1,1,0,0,0,0|0,0,0]=2 97 B15R1.5521 COC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)N H587658 [1,1,0,0,0,0|2,0,0]=4 98 B15R1.5521 COC(=O)C(CC1=CC(=C(C=C1)O)O)N S133010 [1,1,0,0,0,0|0,0,0]=2 99 B15R1.8394 C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N H287333 [1,1,0,0,0,0|0,0,0]=2 100 B15R1.8394 C1=C(C(=CC(=C1O)O)O)CC(C(=O)O)N H354939 [1,1,0,0,0,0|0,0,0]=2 101 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N D154262 [1,1,0,0,0,0|0,0,0]=2 102 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N D424726 [1,1,0,0,0,0|0,0,0]=2 103 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N M129977 [1,1,0,0,0,0|0,0,0]=2 104 B15R1.11316 CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N M423878 [1,1,0,0,0,0|0,0,0]=2 105 B15R1.28955 C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N D154637 [1,1,0,0,0,0|1,0,0]=3 106 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N D117084 [1,1,0,0,0,0|1,0,0]=3 107 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N D132937 [1,1,0,0,0,0|1,0,0]=3 108 B15R1.28955 C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N D181956 [1,1,0,0,0,0|1,0,0]=3